Molecule ID: mol18895

SMILES: O=[N+]([O-])c1ncn(CCCCNc2ccnc3cc(Cl)ccc23)n1

InChI: InChI=1S/C15H15ClN6O2/c16-11-3-4-12-13(5-7-18-14(12)9-11)17-6-1-2-8-21-10-19-15(20-21)22(23)24/h3-5,7,9-10H,1-2,6,8H2,(H,17,18)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.31 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization